SCHEMBL5353683

SCHEMBL5353683

Nc1cc(-c2cn(C3=NNC(=O)CC3)nc2-c2ccc(F)c(Cl)c2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
BRAF P15056 2/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHB4 P54760 2/20 0.37
KDR P35968 2/20 0.36
SRC P12931 1/20 0.36
MET P08581 1/20 0.36
TGFBR1 P36897 4/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
KCNH2 Q12809 1/20 0.33
TGFBR2 P37173 1/20 0.33
BUB1 O43683 1/20 0.33
DYRK1A Q13627 2/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
TDP2 O95551 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5354405 0.94 PDE3B (0.42) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5351774 0.93 BRAF (0.41) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5353375 0.92 PDE3B (0.43) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5353194 0.91 BRAF (0.41) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL1957450 0.88 CSNK1D (0.41) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5347189 0.87 BRAF (0.38) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5348807 0.85 BUB1 (0.38) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5348361 0.85 PDE3B (0.40) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5356281 0.84 SMN1; SMN2 (0.38) PDE3BPDE3ABRAFMAPK3MAPK1
SCHEMBL5352280 0.83 PDE3B (0.43) PDE3BPDE3ABRAFMAPK3MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP claimed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US claimed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US claimed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP claimed
EP-1553096-B1 PYRAZOLE COMPOUNDS UBE INDUSTRIES (JP) 2012-10-31 EP disclosed
US-7294625-B2 Pyrazole compounds UBE INDUSTRIES, LTD. (JP) 2007-11-13 US disclosed
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis UBE INDUSTRIES, LTD. (JP) 2006-03-23 US disclosed
EP-1553096-A1 PYRAZOLE COMPOUNDS Ube Industries, Ltd. (JP) 2005-07-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060063934-A1 3-Pyridazonyl- or triazolopyridazinyl- 4-pyridinyl- or pyrimidinyl- pyrazoles, e.g., 4-(2-aminopyridin-4-yl)-3-phenyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazole; p38MAP kinase inhibitors, used to treat rheumatoid arthritis CNKSR1, MAPK1, MAPK3 PDE3B 485/4885PDE3A 511/4885BRAF 19/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.